Geometry & MOs

Info

ID:	121167
PubChem CID:	50757818
Reduced:	ClN2O5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	406.294391
ΔH_f, kcal/mol:	-182.82
Dipole, Da:	7.23
IP(EA), eV:	-8.49(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethyl-3-methyl-2-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC2(CC1)C(=C(C(=O)O2)C)C(=O)NC3=CC(=C(C=C3OC)OC)Cl

DOS

IR

Vibrations